Cinnarizinium dipicrate

Jasinski, J. P. and Butcher, Ray J. and Siddegowda, M. S. and Yathirajan, H. S. and Kumar, C. S. C. (2011) Cinnarizinium dipicrate. Acta Crystallographica Section E Crystallographic Communications, 67 (2). O500-U1829. ISSN 2056-9890

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In the cinnarizinium dication of the title compound {systematic name: 1-diphenylmethyl-4-(2E)-3-phenylprop-2-en-1-yl]piperazine-1,4-diium bis(2,4,6-trinitrophenolate)}, C26H30N22+center dot 2C(6)H(2)N(3)O(7)(-), the piperazine group is protonated at both N atoms and adopts a slightly distorted chair conformation. Strong N-H center dot center dot center dot O-hydroxy cation-anion hydrogen bonds link the dication and two anions. In the cation, the (2E)-3-phenylprop-2-en-1-yl fragment is disordered over two positions in a ratio of 0.586 (4): 0.414 (4). Two nitro groups in one anion and three in the other one demonstrate rotational disorder. The crystal packing is stabilized by weak intermolecular pi-pi centroid-centroid distances = 3.844 (7), 3.677 (9), 3.825 (5), 3.634 (2) and 3.729 (7) angstrom], C-H center dot center dot center dot pi and C-H center dot center dot center dot O interactions.

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: Users 23 not found.
Date Deposited: 20 Jun 2019 06:17
Last Modified: 11 Jul 2022 09:57

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